SCHEMBL3169642

SCHEMBL3169642

CC(C)CCCc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.50
LOXL2 Q9Y4K0 2/20 0.46
CYP19A1 P11511 2/20 0.46
HRH3 Q9Y5N1 2/20 0.43
HRH4 Q9H3N8 1/20 0.43
NAAA Q02083 1/20 0.42
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24434533 0.94 HRH1 (0.53) HRH1LOXL2CYP19A1HRH3HRH4
SCHEMBL19459487 0.92 HRH1 (0.57) HRH1LOXL2CYP19A1HRH3HRH4
SCHEMBL3169969 0.86 LOXL2 (0.50) HRH1LOXL2CYP19A1HRH3TDP1
SCHEMBL10399075 0.83 HRH1 (0.47) HRH1LOXL2CYP19A1HRH3HRH4
SCHEMBL10397794 0.83 HRH1 (0.52) HRH1LOXL2CYP19A1HRH3HRH4
SCHEMBL9519950 0.83 HRH1 (0.52) HRH1LOXL2CYP19A1HRH3HRH4
SCHEMBL10399076 0.83 HRH1 (0.47) HRH1LOXL2CYP19A1HRH3HRH4
SCHEMBL13018522 0.79 HRH1 (0.47) HRH1LOXL2HRH3HRH4NAAA
SCHEMBL6570414 0.78 HRH1 (0.50) HRH1LOXL2HRH3HRH4NAAA
SCHEMBL351920 0.78 HRH1 (0.65) HRH1LOXL2HRH3HRH4NAAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2023-11-28 US disclosed
US-11760752-B2 Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective Mcl-1 inhibitors and as dual Mcl-1/Bcl-2 inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-09-19 US disclosed
WO-2023096928-A1 HETERO-ATOM CONTAINING COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-06-01 WO disclosed
WO-2022192598-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-09-15 WO disclosed
US-10905769-B2 Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2021-02-02 US disclosed
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 US disclosed
US-20180154332-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING ION PAIRED-BONDED PHASES FOR SUPERCRITICAL FLUID CHROMATOGRAPHY WATERS TECHNOLOGIES CORPORATION 2018-06-07 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
CN-101189052-B Fluid storage and purification methods and systems MATHESON TRI-GAS, INC. (US) 2012-02-08 CN disclosed
US-20110178074-A1 ANTIPATHOGENIC BENZAMIDE COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2011-07-21 US disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 US disclosed
US-20100016367-A1 BIS-PYRINIDIUM COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2010-01-21 US disclosed
US-20100016367-A1 BIS-PYRINIDIUM COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2010-01-21 US disclosed
US-20100016367-A1 BIS-PYRINIDIUM COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2010-01-21 US disclosed
EP-2016069-A1 BIS-PYRIDINIUM COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2009-01-21 EP disclosed
EP-1727799-B1 NOVEL ALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS BOEHRINGER INGELHEIM INT (DE) 2009-01-07 EP disclosed
WO-2007128059-A1 BIS-PYRIDINIUM COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2007-11-15 WO disclosed
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A HRH1 3393/4885LOXL2 3377/4885CYP19A1 427/4885
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES DPYD, P2RX5, P2RX7 HRH1 757/4885LOXL2 3996/4885CYP19A1 1345/4885
US-20100016367-A1 BIS-PYRINIDIUM COMPOUNDS PNPO, DHFR, PLPBP HRH1 173/4885LOXL2 3256/4885CYP19A1 2378/4885
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use TLR7, TLR9, TLR1 HRH1 261/4885LOXL2 564/4885CYP19A1 3559/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HRH1 2976/4885LOXL2 2817/4885CYP19A1 1569/4885
US-11760752-B2 Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective Mcl-1 inhibitors and as dual Mcl-1/Bcl-2 inhibitors MCL1, BCLAF1, BCL2A1 HRH1 3055/4885LOXL2 2919/4885CYP19A1 2114/4885
US-10905769-B2 Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use PLK1, POLR1E, POLK HRH1 4707/4885LOXL2 4041/4885CYP19A1 3637/4885
US-20110178074-A1 ANTIPATHOGENIC BENZAMIDE COMPOUNDS CASP3, BCL3, ME3 HRH1 59/4885LOXL2 2087/4885CYP19A1 4072/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 HRH1 2625/4885LOXL2 3467/4885CYP19A1 1469/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.